SCHEMBL7923351

SCHEMBL7923351

C=C(NC)Nc1cccc2c1CC1(CC2)COC(N)=N1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.60
TAAR1 Q96RJ0 1/20 0.60
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
TRPV1 Q8NER1 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7913278 0.87 ADRA2A (0.60) ADRA2ATAAR1ADRA2BADRA2CADRA1D
SCHEMBL7910877 0.84 ADRA2A (0.62) ADRA2ATAAR1ADRA2BADRA2CADRA1D
SCHEMBL7918622 0.83 ADRA2A (0.60) ADRA2ATAAR1ADRA2BADRA2CADRA1D
SCHEMBL7921652 0.81 TAAR1 (0.57) ADRA2ATAAR1
SCHEMBL7911111 0.80 TAAR1 (0.65) ADRA2ATAAR1ADRA2BADRA2CADRA1D
SCHEMBL7924900 0.79 TAAR1 (0.55) ADRA2ATAAR1
SCHEMBL7921654 0.79 TAAR1 (0.54) ADRA2ATAAR1
SCHEMBL7921649 0.76 ADRA2A (0.56) ADRA2ATAAR1ADRA2BADRA2CADRA1D
SCHEMBL7924152 0.75 ADRA2A (0.72) ADRA2ATAAR1ADRA2BADRA2CADRA1D
SCHEMBL20152367 0.75 ADRA2A (1.00) ADRA2ATAAR1ADRA2BADRA2CADRA1D

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010042475-A1 SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA2C ADRENERGIC RECEPTOR MODULATORS SCHERING CORPORATION (US) 2010-04-15 WO disclosed